SCHEMBL10925472

SCHEMBL10925472

CNCc1ccc(COc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.76
PRSS1 P07477 3/20 0.76
PRSS2 P07478 3/20 0.76
PRSS3 P35030 3/20 0.76
TMPRSS6 Q8IU80 1/20 0.76
ST14 Q9Y5Y6 1/20 0.76
MRGPRX1 Q96LB2 1/20 0.65
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14543642 0.87 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23541143 0.85 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL48986 0.85 PRSS1 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7449474 0.82 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7442771 0.82 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL10922350 0.81 F2 (0.86) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6629683 0.79 F2 (0.83) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7317832 0.79 F2 (0.79) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14599535 0.79 F2 (0.76) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23566292 0.79 PRSS1 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 US disclosed